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88958-79-6 | 5-Heptenenitrile, 4-chloro-6-methyl-4-(phenylsulfonyl)-
CAS No: 88958-79-6 Catalog No: AG0046QW MDL No:
Product Description
Catalog Number:
AG0046QW
Chemical Name:
5-Heptenenitrile, 4-chloro-6-methyl-4-(phenylsulfonyl)-
CAS Number:
88958-79-6
Molecular Formula:
C14H16ClNO2S
Molecular Weight:
297.8003
IUPAC Name:
4-(benzenesulfonyl)-4-chloro-6-methylhept-5-enenitrile
InChI:
InChI=1S/C14H16ClNO2S/c1-12(2)11-14(15,9-6-10-16)19(17,18)13-7-4-3-5-8-13/h3-5,7-8,11H,6,9H2,1-2H3
InChI Key:
QENOXLBNRXQDSK-UHFFFAOYSA-N
SMILES:
N#CCCC(S(=O)(=O)c1ccccc1)(C=C(C)C)Cl
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.797g/mol
Monoisotopic Mass:
297.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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